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CHEBI:146002 - desertorin A

ChEBI IDCHEBI:146002
ChEBI Namedesertorin A
Stars
DefinitionA bicoumarin that is 7-hydroxy-4-methoxy-5-methyl-2H-chromen-2-one substituted by a 7-hydroxy-4-methoxy-5-methyl-2-oxo-2H-chromen-6-yl group at position 8.
Last Modified5 February 2020
SubmitterAdnan
DownloadsMolfile
FormulaC22H18O8
Net Charge0
Average Mass410.378
Monoisotopic Mass410.10017
SMILESCOc1cc(=O)oc2cc(O)c(-c3c(O)cc(C)c4c(OC)cc(=O)oc34)c(C)c12
InChIInChI=1S/C22H18O8/c1-9-5-11(23)21(22-18(9)13(27-3)7-17(26)30-22)19-10(2)20-14(28-4)8-16(25)29-15(20)6-12(19)24/h5-8,23-24H,1-4H3
InChIKeyPRMZXICFBUXBCX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Emericella desertorum (ncbitaxon:1810909) - PubMed (26389790) Strain: CBS 653.73
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
desertorin A (CHEBI:146002) has role Aspergillus metabolite (CHEBI:76956)
desertorin A (CHEBI:146002) is a bicoumarin (CHEBI:64461)
desertorin A (CHEBI:146002) is conjugate acid of desertorin A(1−) (CHEBI:145993)
Incoming Relation(s)
desertorin A(1−) (CHEBI:145993) is conjugate base of desertorin A (CHEBI:146002)
IUPAC Name 
7,7'-dihydroxy-4,4'-dimethoxy-5,5'-dimethyl-2H,2'H-[6,8'-bichromene]-2,2'-dione
Synonyms  Source
7,7'-dihydroxy-4,4'-dimethoxy-5,5'-dimethyl-2H,2'H-[6,8'-bi-1-benzopyran]-2,2'-dioneIUPAC
M-desertorin AChEBI
Registry NumbersSources
CAS:110325-63-8ChEBI
Citations